CID 135606020

2-(n-((anilinocarbonyl)oxy)dodecanimidoyl)-1-hydroxy-4-methylbenzene

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CCCCCCCCCCC/C(=N\OC(=O)NC1=CC=CC=C1)/C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C26H36N2O3/c1-3-4-5-6-7-8-9-10-14-17-24(23-20-21(2)18-19-25(23)29)28-31-26(30)27-22-15-12-11-13-16-22/h11-13,15-16,18-20,29H,3-10,14,17H2,1-2H3,(H,27,30)/b28-24+
InChIKey
HPKJNPMFDFIEFI-ZZIIXHQDSA-N
Compound name
[(E)-1-(2-hydroxy-5-methylphenyl)dodecylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.27258 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 211.0
[M+Na]+ 447.26180 220.6
[M+NH4]+ 442.30640 216.0
[M+K]+ 463.23574 212.1
[M-H]- 423.26530 214.8
[M+Na-2H]- 445.24725 216.1
[M]+ 424.27203 213.1
[M]- 424.27313 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.